3-phenylpropylsulfonylmethanesulfonamide

C10H15NO4S2 — CID 14460415

IUPAC3-phenylpropylsulfonylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C10H15NO4S2/c11-17(14,15)9-16(12,13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,11,14,15)
InChIKeyNGRSKGPAQBKOJC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.28
Rot. Bonds6

About 3-phenylpropylsulfonylmethanesulfonamide

3-phenylpropylsulfonylmethanesulfonamide (PubChem CID 14460415) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-phenylpropylsulfonylmethanesulfonamide.

Molecular Properties

Compound Name3-phenylpropylsulfonylmethanesulfonamide
PubChem CID14460415
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-phenylpropylsulfonylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C10H15NO4S2/c11-17(14,15)9-16(12,13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,11,14,15)
InChIKeyNGRSKGPAQBKOJC-UHFFFAOYSA-N
XLogP0.28
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenylhexane-1-sulfonamide
CID 67179834
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
2-methyl-1-(3-phenylpropylsulfonyl)propan-2-ol
CID 111435451
3-but-2-enylsulfonylpropylbenzene
CID 76865479
10-phenyldecane-1-sulfonic acid
CID 58984189
3-(2-ethoxyethylsulfonyl)propylbenzene
CID 78832413
N,N-bis(cyanomethyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 60612812
3-(3-phenylpropylsulfonylmethyl)pentanedioic acid
CID 151959580
1-tert-butyl-4-(3-phenylpropylsulfonylmethyl)benzene
CID 52541496
4-(3-phenylpropylsulfonylmethyl)benzonitrile
CID 82178242
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropylsulfonylmethanesulfonamide?
The IUPAC name of 3-phenylpropylsulfonylmethanesulfonamide (CID 14460415) is 3-phenylpropylsulfonylmethanesulfonamide.
What is the SMILES notation for 3-phenylpropylsulfonylmethanesulfonamide?
The canonical SMILES for 3-phenylpropylsulfonylmethanesulfonamide is NS(=O)(=O)CS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of 3-phenylpropylsulfonylmethanesulfonamide?
The InChIKey is NGRSKGPAQBKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c11-17(14,15)9-16(12,13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,11,14,15).
What are the key properties of 3-phenylpropylsulfonylmethanesulfonamide?
3-phenylpropylsulfonylmethanesulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropylsulfonylmethanesulfonamide is sourced from PubChem (CID 14460415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).